(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C14H11ClN4O6S MolecularWeight: 398.77834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2CCCC(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C14H11ClN4O6S/c15-13-9(16-17-26-13)7-24-12(20)2-1-5-18-10-4-3-8(19(22)23)6-11(10)25-14(18)21/h3-4,6H,1-2,5,7H2